2-[2,2,4,4-tetramethyl-5-(5-methylimidazol-1-yl)pentyl]isoindole-1,3-dione

C21H27N3O2 — CID 145497538

IUPAC2-[2,2,4,4-tetramethyl-5-(5-methylimidazol-1-yl)pentyl]isoindole-1,3-dione
SMILESCc1cncn1CC(C)(C)CC(C)(C)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H27N3O2/c1-15-10-22-14-23(15)12-20(2,3)11-21(4,5)13-24-18(25)16-8-6-7-9-17(16)19(24)26/h6-10,14H,11-13H2,1-5H3
InChIKeyVOOXZCLUGMIYQB-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.93
Rot. Bonds6

About 2-[2,2,4,4-tetramethyl-5-(5-methylimidazol-1-yl)pentyl]isoindole-1,3-dione

2-[2,2,4,4-tetramethyl-5-(5-methylimidazol-1-yl)pentyl]isoindole-1,3-dione (PubChem CID 145497538) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-[2,2,4,4-tetramethyl-5-(5-methylimidazol-1-yl)pentyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2,2,4,4-tetramethyl-5-(5-methylimidazol-1-yl)pentyl]isoindole-1,3-dione
PubChem CID145497538
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-[2,2,4,4-tetramethyl-5-(5-methylimidazol-1-yl)pentyl]isoindole-1,3-dione
SMILESCc1cncn1CC(C)(C)CC(C)(C)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H27N3O2/c1-15-10-22-14-23(15)12-20(2,3)11-21(4,5)13-24-18(25)16-8-6-7-9-17(16)19(24)26/h6-10,14H,11-13H2,1-5H3
InChIKeyVOOXZCLUGMIYQB-UHFFFAOYSA-N
XLogP3.93
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

iridium;2-[3-(5-methylimidazol-1-yl)propyl]isoindole-1,3-dione
CID 145497513
4-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanal
CID 89350088
2-(2-hydroxy-2-methylpropyl)isoindole-1,3-dione
CID 15205735
1-(4-methoxy-2,2-dimethylbutyl)-5-methylimidazole
CID 116798993
2-(4,4,4-trifluoro-2-hydroxy-2-methylbutyl)isoindole-1,3-dione
CID 164683727
(2R)-4-(1,3-dioxoisoindol-2-yl)-2-hydroxy-3,3-dimethylbutanoic acid
CID 834726
ethyl (2R)-4-(1,3-dioxoisoindol-2-yl)-2-hydroxy-3,3-dimethylbutanoate
CID 830896
2-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)isoindole-1,3-dione
CID 67383644
2-(1,3-dioxoisoindol-2-yl)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121121253
methyl (E)-2-bromo-6-(1,3-dioxoisoindol-2-yl)-5,5-dimethylhex-2-enoate
CID 89368240
2-(5-hydroxy-2,2-dimethylpentyl)pyrrolo[3,4-c]pyridine-1,3-dione
CID 106146222
2-(ethylsulfanylmethyl)isoindole-1,3-dione
CID 13458998

Frequently Asked Questions

What is the IUPAC name of 2-[2,2,4,4-tetramethyl-5-(5-methylimidazol-1-yl)pentyl]isoindole-1,3-dione?
The IUPAC name of 2-[2,2,4,4-tetramethyl-5-(5-methylimidazol-1-yl)pentyl]isoindole-1,3-dione (CID 145497538) is 2-[2,2,4,4-tetramethyl-5-(5-methylimidazol-1-yl)pentyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2,2,4,4-tetramethyl-5-(5-methylimidazol-1-yl)pentyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2,2,4,4-tetramethyl-5-(5-methylimidazol-1-yl)pentyl]isoindole-1,3-dione is Cc1cncn1CC(C)(C)CC(C)(C)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[2,2,4,4-tetramethyl-5-(5-methylimidazol-1-yl)pentyl]isoindole-1,3-dione?
The InChIKey is VOOXZCLUGMIYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-15-10-22-14-23(15)12-20(2,3)11-21(4,5)13-24-18(25)16-8-6-7-9-17(16)19(24)26/h6-10,14H,11-13H2,1-5H3.
What are the key properties of 2-[2,2,4,4-tetramethyl-5-(5-methylimidazol-1-yl)pentyl]isoindole-1,3-dione?
2-[2,2,4,4-tetramethyl-5-(5-methylimidazol-1-yl)pentyl]isoindole-1,3-dione has a molecular weight of 353.47 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2,4,4-tetramethyl-5-(5-methylimidazol-1-yl)pentyl]isoindole-1,3-dione is sourced from PubChem (CID 145497538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).